2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(benzenesulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-1-(4-besylpiperazino)ethanone Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c1-18(27)26-12-11-19-7-5-6-10-21(19)22(26)17-23(28)24-13-15-25(16-14-24)31(29,30)20-8-3-2-4-9-20/h2-12,22H,13-17H2,1H3/t22-/m1/s1